3,5-DIMETHOXYPHENYLACETONITRILE
Catalog No: FT-0614647
CAS No: 13388-75-5
- Molecular Formula: 177.2
- Formula Weight: C10H11NO2
- Inchl Key: UUNRWZQWCNTSCV-UHFFFAOYSA-N
- Inchl: InChI=1S/C10H11NO2/c1-12-9-5-8(3-4-11)6-10(7-9)13-2/h5-7H,3H2,1-2H3
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
FW: | 177.200 |
---|---|
CAS: | 13388-75-5 |
Flash_Point: | 127.3±16.9 °C |
MF: | C10H11NO2 |
Symbol: | Warning |
Bolling_Point: | 316.7±27.0 °C at 760 mmHg |
Melting_Point: | 54-57 °C(lit.) |
Product_Name: | (3,5-Dimethoxyphenyl)acetonitrile |
Density: | 1.1±0.1 g/cm3 |
FW: | 177.200 |
---|---|
MF: | C10H11NO2 |
Refractive_Index: | 1.512 |
Vapor_Pressure: | 0.0±0.7 mmHg at 25°C |
Bolling_Point: | 316.7±27.0 °C at 760 mmHg |
Exact_Mass: | 177.078979 |
PSA: | 42.25000 |
Computational_Chemistry: | ['1. XlogP :15 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :N/A ', '6. TPSA 422 ', '7. Heavy Atom Count :13 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :184 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
Molecular_Structure: | ['1 . Molar refractive index 4907 ', '2 . Molar volume (m3/mol)1636 ', '3 . Parachor (902K)4055 ', '4 . Surface tension 377 ', '5 . Polarizability 1945'] |
LogP: | 1.16 |
Melting_Point: | 54-57 °C(lit.) |
Flash_Point: | 127.3±16.9 °C |
Density: | 1.1±0.1 g/cm3 |
More_Info: | ['1 . Appearance White Solid ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)52-55 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC,52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º)Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Unknow'] |
Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
---|---|
HS_Code: | 2926909090 |
Symbol: | Warning |
Risk_Statements(EU): | R20/21/22 |
WGK_Germany: | 3 |
Packing_Group: | III |
Safety_Statements: | H302 |
RIDADR: | 3439 |
Hazard_Codes: | Xn: Harmful; |
Hazard_Class: | 6.1 |
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